4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane

C62H50Br2O5 — CID 159948960

IUPAC4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane
SMILESBrc1cccc2c1oc1ccccc12.C1CCOC1.Cc1cccc2c1oc1c(Br)cccc12.Cc1cccc2c1oc1c(Cc3ccccc3)cccc12.Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C20H16O.C13H9BrO.C13H10O.C12H7BrO.C4H8O/c1-14-7-5-11-17-18-12-6-10-16(20(18)21-19(14)17)13-15-8-3-2-4-9-15;1-8-4-2-5-9-10-6-3-7-11(14)13(10)15-12(8)9;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-2-4-5-3-1/h2-12H,13H2,1H3;2-7H,1H3;2-8H,1H3;1-7H;1-4H2
InChIKeyOBVXLASPNXUMAL-UHFFFAOYSA-N
MW1034.88 g/mol
LogP19.18
Rot. Bonds2

About 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane

4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane (PubChem CID 159948960) has the molecular formula C62H50Br2O5 and a molecular weight of 1034.88 g/mol. Its IUPAC name is 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane.

Molecular Properties

Compound Name4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane
PubChem CID159948960
Molecular FormulaC62H50Br2O5
Molecular Weight1034.88 g/mol
Exact Mass1032.20
IUPAC Name4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane
SMILESBrc1cccc2c1oc1ccccc12.C1CCOC1.Cc1cccc2c1oc1c(Br)cccc12.Cc1cccc2c1oc1c(Cc3ccccc3)cccc12.Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C20H16O.C13H9BrO.C13H10O.C12H7BrO.C4H8O/c1-14-7-5-11-17-18-12-6-10-16(20(18)21-19(14)17)13-15-8-3-2-4-9-15;1-8-4-2-5-9-10-6-3-7-11(14)13(10)15-12(8)9;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-2-4-5-3-1/h2-12H,13H2,1H3;2-7H,1H3;2-8H,1H3;1-7H;1-4H2
InChIKeyOBVXLASPNXUMAL-UHFFFAOYSA-N
XLogP19.18
TPSA61.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.88
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-methyldibenzofuran
CID 155004540
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
4-benzyl-6-methylnaphtho[2,3-b][1]benzofuran
CID 160947244
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
CID 175444962
CID 175444962
3-benzyl-7-bromo-1-benzofuran
CID 59344886
4-bromodibenzofuran;4-phenylaniline
CID 122673561
ethane;1-(2-ethylphenyl)pyrrole;4-methyldibenzofuran
CID 142201060
dibenzofuran-4-ylmethanamine
CID 82606963
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 164960874

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane?
The IUPAC name of 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane (CID 159948960) is 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane.
What is the SMILES notation for 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane?
The canonical SMILES for 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane is Brc1cccc2c1oc1ccccc12.C1CCOC1.Cc1cccc2c1oc1c(Br)cccc12.Cc1cccc2c1oc1c(Cc3ccccc3)cccc12.Cc1cccc2c1oc1ccccc12.
What is the InChIKey of 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane?
The InChIKey is OBVXLASPNXUMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O.C13H9BrO.C13H10O.C12H7BrO.C4H8O/c1-14-7-5-11-17-18-12-6-10-16(20(18)21-19(14)17)13-15-8-3-2-4-9-15;1-8-4-2-5-9-10-6-3-7-11(14)13(10)15-12(8)9;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-2-4-5-3-1/h2-12H,13H2,1H3;2-7H,1H3;2-8H,1H3;1-7H;1-4H2.
What are the key properties of 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane?
4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane has a molecular weight of 1034.88 g/mol, XLogP of 19.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-methyldibenzofuran;4-bromodibenzofuran;4-bromo-6-methyldibenzofuran;4-methyldibenzofuran;oxolane is sourced from PubChem (CID 159948960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).